Ferricyanide photo-aquation pathway revealed by combined femtosecond Kβ main line and valence-to-core x-ray emission spectroscopy

Direct observation of coherent femtosecond solvent reorganization coupled to intramolecular electron transfer

(2021) Elisa Biasin et al.   Nature Chemistry

Short-lived metal-centered excited state initiates iron-methionine photodissociation in ferrous cytochrome c

(2021) Marco E. Reinhard et al.   Nature Communications

Excited state charge distribution and bond expansion of ferrous complexes observed with femtosecond valence-to-core x-ray emission spectroscopy

(2020) Kathryn Ledbetter et al.   JOURNAL OF CHEMICAL PHYSICS

Vibrational wavepacket dynamics in Fe carbene photosensitizer determined with femtosecond X-ray emission and scattering

(2020) Kristjan Kunnus et al.   Nature Communications

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Chemical Sensitivity of Kβ and Kα X-ray Emission from a Systematic Investigation of Iron Compounds

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Is Iron the New Ruthenium?

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Efficient calculations of a large number of highly excited states for multiconfigurational wavefunctions

(2019) Mickael G. Delcey et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Elucidation of the photoaquation reaction mechanism in ferrous hexacyanide using synchrotron x-rays with sub-pulse-duration sensitivity

(2019) Anne Marie March et al.   JOURNAL OF CHEMICAL PHYSICS

OpenMolcas: From Source Code to Insight

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Iron(ii) coordination complexes with panchromatic absorption and nanosecond charge-transfer excited state lifetimes

(2019) Jason D. Braun et al.   Nature Chemistry

Comprehensive Experimental and Computational Spectroscopic Study of Hexacyanoferrate Complexes in Water: From Infrared to X-ray Wavelengths

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Disentangling Transient Charge Density and Metal–Ligand Covalency in Photoexcited Ferricyanide with Femtosecond Resonant Inelastic Soft X-ray Scattering

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Fingerprints of electronic, spin and structural dynamics from resonant inelastic soft X-ray scattering in transient photo-chemical species

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Luminescence and reactivity of a charge-transfer excited iron complex with nanosecond lifetime

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Probing Transient Valence Orbital Changes with Picosecond Valence-to-Core X-ray Emission Spectroscopy

(2017) Anne Marie March et al.   Journal of Physical Chemistry C

Photoaquation Mechanism of Hexacyanoferrate(II) Ions: Ultrafast 2D UV and Transient Visible and IR Spectroscopies

(2017) Marco Reinhard et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Charge-transfer and impulsive electronic-to-vibrational energy conversion in ferricyanide: ultrafast photoelectron and transient infrared studies

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Light-induced relaxation dynamics of the ferricyanide ion revisited by ultrafast XUV photoelectron spectroscopy

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Metalloprotein entatic control of ligand-metal bonds quantified by ultrafast x-ray spectroscopy

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(2017) Frank Neese   Wiley Interdisciplinary Reviews-Computational Molecular Science

Viewing the Valence Electronic Structure of Ferric and Ferrous Hexacyanide in Solution from the Fe and Cyanide Perspectives

(2016) Kristjan Kunnus et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Simulations of iron K pre-edge X-ray absorption spectra using the restricted active space method

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Femtosecond X-Ray Scattering Study of Ultrafast Photoinduced Structural Dynamics in Solvated[Co(terpy)2]2+

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Atomistic characterization of the active-site solvation dynamics of a model photocatalyst

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Identification of the dominant photochemical pathways and mechanistic insights to the ultrafast ligand exchange of Fe(CO)5 to Fe(CO)4EtOH

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Insights into the Geometric and Electronic Structure of Transition Metal Centers from Valence-to-Core X-ray Emission Spectroscopy

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Feasibility of Valence-to-Core X-ray Emission Spectroscopy for Tracking Transient Species

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The X-ray Correlation Spectroscopy instrument at the Linac Coherent Light Source

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X-ray Spectroscopic Study of Solvent Effects on the Ferrous and Ferric Hexacyanide Anions

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Kβ Mainline X-ray Emission Spectroscopy as an Experimental Probe of Metal–Ligand Covalency

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Tracking excited-state charge and spin dynamics in iron coordination complexes

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The role of charge-transfer states in energy transfer and dissipation within natural and artificial bacteriochlorophyll proteins

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Photooxidation and photoaquation of iron hexacyanide in aqueous solution: A picosecond X-ray absorption study

(2014) M. Reinhard et al.   Structural Dynamics

Achieving few-femtosecond time-sorting at hard X-ray free-electron lasers

(2013) M. Harmand et al.   Nature Photonics

Dynamics of Solvent-Mediated Electron Localization in Electronically Excited Hexacyanoferrate(III)

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Valence-to-Core X-ray Emission Spectroscopy: A Sensitive Probe of the Nature of a Bound Ligand

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Calibration of Cholesky Auxiliary Basis Sets for Multiconfigurational Perturbation Theory Calculations of Excitation Energies

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Probing Valence Orbital Composition with Iron Kβ X-ray Emission Spectroscopy

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The restricted active space followed by second-order perturbation theory method: Theory and application to the study of CuO2 and Cu2O2 systems

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Architecture of a Charge-Transfer State Regulating Light Harvesting in a Plant Antenna Protein

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